3NW2
 
 | | Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights | | Descriptor: | 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Graedler, U, Fuchss, T, Ulrich, W.R, Boer, R, Strub, A, Hesslinger, C, Anezo, C, Diederichs, K, Zaliani, A. | | Deposit date: | 2010-07-09 | | Release date: | 2011-06-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights
Bioorg.Med.Chem.Lett., 21, 2011
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3OJU
 | | Snapshot of the large fragment of DNA polymerase I from Thermus Aquaticus processing c5 modified thymidies | | Descriptor: | 2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate), DNA (5'-D(*AP*AP*AP*AP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | | Authors: | Marx, A, Diederichs, K, Obeid, S. | | Deposit date: | 2010-08-23 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the synthesis of nucleobase modified DNA by Thermus aquaticus DNA polymerase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3PO5
 | | Structure of a mutant of the large fragment of DNA polymerase I from Thermus Auqaticus in complex with an abasic site and ddATP | | Descriptor: | 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(2DA))-3'), DNA (5'-D(P*(3DR)P*TP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | | Authors: | Marx, A, Diederichs, K, Obeid, S. | | Deposit date: | 2010-11-22 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Learning from Directed Evolution: Thermus aquaticus DNA Polymerase Mutants with Translesion Synthesis Activity.
Chembiochem, 12, 2011
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4BWJ
 | | KlenTaq mutant in complex with DNA and ddCTP | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOCP)-3', ... | | Authors: | Blatter, N, Bergen, K, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2013-07-03 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and Function of an RNA-Reading Thermostable DNA Polymerase.
Angew.Chem.Int.Ed.Engl., 52, 2013
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6FMV
 | | IMISX-EP of Hg-BacA soaking SIRAS | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, ... | | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | Deposit date: | 2018-02-02 | | Release date: | 2018-09-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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4BWM
 | | KlenTaq mutant in complex with a RNA/DNA hybrid | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOCP)-3', 5'-R(*AP*AP*AP*GP*GP*GP*CP*GP*CP*CP*GP*UP*GP*GP*UP*C)-3', ... | | Authors: | Blatter, N, Bergen, K, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2013-07-03 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Structure and Function of an RNA-Reading Thermostable DNA Polymerase.
Angew.Chem.Int.Ed.Engl., 52, 2013
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1T92
 | | Crystal structure of N-terminal truncated pseudopilin PulG | | Descriptor: | General secretion pathway protein G, ZINC ION | | Authors: | Koehler, R, Schaefer, K, Mueller, S, Vignon, G, Diederichs, K, Philippsen, A, Ringler, P, Pugsley, A.P, Engel, A, Welte, W. | | Deposit date: | 2004-05-14 | | Release date: | 2004-10-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and assembly of the pseudopilin PulG.
Mol.Microbiol., 54, 2004
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4LT1
 | | HEWL co-crystallised with Carboplatin in non-NaCl conditions: crystal 1 processed using the XDS software package | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Schreurs, A.M.M, Helliwell, J.R. | | Deposit date: | 2013-07-23 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Carboplatin binding to a model protein in non-NaCl conditions to eliminate partial conversion to cisplatin, and the use of different criteria to choose the resolution limit
To be Published
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4NSH
 | | Carboplatin binding to HEWL in 0.2M NH4SO4, 0.1M NaAc in 25% PEG 4000 at pH 4.6 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R. | | Deposit date: | 2013-11-28 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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1URS
 | | X-ray structures of the maltose-maltodextrin binding protein of the thermoacidophilic bacterium Alicyclobacillus acidocaldarius | | Descriptor: | MALTOSE-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Schafer, K, Magnusson, U, Scheffel, F, Schiefner, A, Sandgren, M.O.J, Diederichs, K, Welte, W, Hulsmann, A, Schneider, E, Mowbray, S.L. | | Deposit date: | 2003-11-04 | | Release date: | 2003-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | X-Ray Structures of the Maltose-Maltodextrin-Binding Protein of the Thermoacidophilic Bacterium Alicyclobacillus Acidocaldarius Provide Insight Into Acid Stability of Proteins
J.Mol.Biol., 335, 2004
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4NSG
 | | Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 1.5418A | | Descriptor: | ACETATE ION, BROMIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R. | | Deposit date: | 2013-11-28 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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5D58
 | | In meso in situ serial X-ray crystallography structure of the PepTSt-Ala-Phe complex at 100 K | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALANINE, ... | | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D5F
 | | In meso in situ serial X-ray crystallography structure of lysozyme by bromine-SAD at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ... | | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D5D
 | | In meso in situ serial X-ray crystallography structure of AlgE at 100 K | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | | Authors: | Ma, P, Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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4NSJ
 | | Carboplatin binding to HEWL in 2M NH4formate, 0.1M HEPES at pH 7.5 | | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, Lysozyme C, ... | | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R. | | Deposit date: | 2013-11-28 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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5D5C
 | | In meso in situ serial X-ray crystallography structure of lysozyme at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ... | | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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1URD
 | | X-ray structures of the maltose-maltodextrin binding protein of the thermoacidophilic bacterium Alicyclobacillus acidocaldarius provide insight into acid stability of proteins | | Descriptor: | MALTOSE-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Schafer, K, Magnusson, U, Scheffel, F, Schiefner, A, Sandgren, M.O.J, Diederichs, K, Welte, W, Hulsmann, A, Schneider, E, Mowbray, S.L. | | Deposit date: | 2003-10-29 | | Release date: | 2003-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | X-Ray Structures of the Maltose-Maltodextrin-Binding Protein of the Thermoacidophilic Bacterium Alicyclobacillus Acidocaldarius Provide Insight Into Acid Stability of Proteins.
J.Mol.Biol., 335, 2004
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1URG
 | | X-ray structures from the maltose-maltodextrin binding protein of the thermoacidophilic bacterium Alicyclobacillus acidocaldarius | | Descriptor: | MALTOSE-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Schafer, K, Magnusson, U, Scheffel, F, Schiefner, A, Sandgren, M.O.J, Diederichs, K, Welte, W, Hulsmann, A, Schneider, E, Mowbray, S.L. | | Deposit date: | 2003-10-29 | | Release date: | 2003-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-Ray Structures of the Maltose-Maltodextrin-Binding Protein of the Thermoacidophilic Bacterium Alicyclobacillus Acidocaldarius Provide Insight Into Acid Stability of Proteins.
J.Mol.Biol., 335, 2004
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3RTV
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with natural primer/template DNA | | Descriptor: | (5'-D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'), 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Marx, A, Diederichs, K, Betz, K. | | Deposit date: | 2011-05-04 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
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3SZ2
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dG as templating nucleobase | | Descriptor: | (5'-D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'), DNA polymerase I, ... | | Authors: | Betz, K, Marx, A, Diederichs, K. | | Deposit date: | 2011-07-18 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
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3SV3
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with the artificial base pair dNaM-d5SICSTP | | Descriptor: | (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), 2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione, ... | | Authors: | Betz, K, Diederichs, K, Marx, A. | | Deposit date: | 2011-07-12 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
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3SV4
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dT as templating nucleobase | | Descriptor: | (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA polymerase I, ... | | Authors: | Betz, K, Diederichs, K, Marx, A. | | Deposit date: | 2011-07-12 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
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3SYZ
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dNaM as templating nucleobase | | Descriptor: | (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA polymerase I, ... | | Authors: | Betz, K, Diederichs, K, Marx, A. | | Deposit date: | 2011-07-18 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
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1RYI
 | | STRUCTURE OF GLYCINE OXIDASE WITH BOUND INHIBITOR GLYCOLATE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE OXIDASE, GLYCOLIC ACID | | Authors: | Moertl, M, Diederichs, K, Welte, W, Pollegioni, L, Molla, G, Motteran, L, Andriolo, G, Pilone, M.S. | | Deposit date: | 2003-12-22 | | Release date: | 2005-02-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-function correlation in glycine oxidase from Bacillus subtilis
J.Biol.Chem., 279, 2004
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6FBI
 | | KlenTaq DNA polymerase in a closed, ternary complex with dGpNHpp bound in the active site | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | | Deposit date: | 2017-12-19 | | Release date: | 2018-09-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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